3-氯-4-肼苯甲腈 | 254880-25-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-氯-4-肼苯甲腈
• 英文名称: 2-chloro-4-cyanophenylhydrazine
• 英文别名: 3-chloro-4-hydrazinylbenzonitrile；3-Chloro-4-hydrazinobenzonitrile
• CAS: 254880-25-6
• 化学式: C₇H₆ClN₃
• 分子量: 167.598
• InChiKey: SJFYEHDTFWHIBF-UHFFFAOYSA-N

物化性质

• 熔点：
  127 °C
• 沸点：
  303.3±32.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  61.8
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2928000090

反应信息

• 作为反应物：
  描述：

  3-氯-4-肼苯甲腈 在 dipotassium peroxodisulfate 、 草酰氯 、 lithium hydroxide monohydrate 、 硫酸 、 sodium ethanolate 、 三乙胺 、 N,N-二异丙基乙胺 、 三溴氧磷 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 11.5h， 生成 3-bromo-N-(4-chloro-2-methyl-6-(methylcarbamoyl)phenyl)-1-(2-cyano-4-nitrophenyl)-1H-pyrazole-5-carboxamide
  参考文献：
  名称：

  一类氰基取代的苯基吡唑酰胺衍生物及其制备方法和用途

  摘要：

  本发明提供了一类氰基取代的苯基吡唑酰胺衍生物及其制备方法和用途，具体涉及一类氰基取代的苯基吡唑酰胺衍生物，其化学结构通式见式I：I：本发明公开了上述化合物的结构通式、合成方法与用作杀虫剂、杀菌剂、抗植物病毒剂的用途，其与农业上可接受的助剂或增效剂以及与商品杀虫剂、杀菌剂、抗植物病毒剂、杀螨剂组合使用在防治农业、林业、园艺植物虫害、病害、病毒病害中的用途和制备方法。

  公开号：

  CN114621144A
• 作为产物：
  描述：

  3-氯-4-氟苯腈 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 3-氯-4-肼苯甲腈
  参考文献：
  名称：

  Discovery of (3S,3aR)-2-(3-Chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic Acid (PF-3882845), an Orally Efficacious Mineralocorticoid Receptor (MR) Antagonist for Hypertension and Nephropathy

  摘要：

  We have discovered a novel class of nonsteroidal pyrazoline antagonists of the mineralocorticoid receptor (M R) that show excellent potency and selectivity against other nuclear receptors. Early analogues were poorly soluble and had a propensity to inhibit the hERG channel. Remarkably, both of these challenges were overcome by incorporation of a single carboxylate moiety. Structural modification of carboxylate-containing lead R-4g with a wide range of substituents at each position of the pyrazoline ring resulted in R-12o, which shows excellent activity against MR and reasonable pharmacokinetic profile. Introduction of conformational restriction led to a novel series characterized by exquisite potency and favorable steroid receptor selectivity and pharmacokinetic profile. Oral dosing of 3S,3aR-27d (PF-3882845) in the Dahl salt sensitive preclinical model of salt-induced hypertension and nephropathy showed blood pressure attenuation significantly greater than that with eplerenone, reduction in urinary albumin, and renal protection. As a result of these findings, 3S,3aR-27d was advanced to clinical studies.

  DOI：

  10.1021/jm100505n

文献信息

• [EN] PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO<br/>[FR] COMPOSITIONS PESTICIDES ET PROCESSUS ASSOCIÉS À CELLES-CI
  申请人：DOW AGROSCIENCES LLC

  公开号：WO2014126580A1

  公开（公告）日：2014-08-21

  This document discloses pesticidal compositions comprising molecules having the following formula ("Formula One"), - Structure- wherein the compositions further comprise one or more of additional pesticidally active components. Also disclosed are processes for applying the pesticidal composition to plants, seeds and to soil where the plants are going to be planted. The inventive pesticidal compositions are effective toward eradicating pests such as BAW, CEW and GPA.

  本文件披露了包含具有以下公式（"公式一"）的分子的杀虫组合物，其中这些组合物进一步包括一种或多种额外的杀虫活性成分。还披露了将杀虫组合物应用于植物、种子和即将种植的土壤的过程。这种创新的杀虫组合物对于根除诸如BAW、CEW和GPA等害虫是有效的。
• Enhancers of protein degradation
  申请人：MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN

  公开号：EP2287149A1

  公开（公告）日：2011-02-23

  The present invention relates to compounds suitable for modulating huntingtin protein processing and useful for treating or preventing huntingtin-related disorders. The invention provides pharmaceutical compositions comprising said compounds and methods of syntheses thereof.

  本发明涉及适用于调节亨廷顿蛋白处理并用于治疗或预防亨廷顿相关疾病的化合物。本发明提供了包含所述化合物的制药组合物以及其合成方法。
• Thiazolyl-dihydro-indazole
  申请人：Betzemeier Bodo

  公开号：US20060100254A1

  公开（公告）日：2006-05-11

  The present invention encompasses compounds of the general formula (1) in which R 1 to R 3 are defined as in Claim 1, which are suitable for treating diseases which are characterized by excessive or anomalous cell proliferation, and their use for producing a pharmaceutical having the abovementioned properties.

  本发明涵盖一般式（1）中定义如权利要求1中的R1至R3的化合物，这些化合物适用于治疗由过度或异常细胞增殖特征的疾病，并且它们用于制造具有上述特性的药物。
• TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS
  申请人：Fales Kevin Robert

  公开号：US20100022550A1

  公开（公告）日：2010-01-28

  The present invention provides a compound of the formula: Formula (I) or a pharmaceutically acceptable salt thereof; pharmaceutical compositions comprising an effective amount of a compound of Formula (I) in combination with a suitable carrier, diluent, or excipient; and methods for treating physiological disorders, particularly frailty, osteoporosis, osteopenia, and male and female sexual dysfunction comprising administering to a patient in need thereof an effective amount of a compound of formula (I).

  本发明提供了以下公式的化合物：公式（I）或其药学上可接受的盐；包含有效量公式（I）化合物与适当载体、稀释剂或赋形剂的制剂；以及治疗生理障碍，特别是虚弱，骨质疏松，骨质疏松症和男女性功能障碍的方法，包括向需要的患者给予公式（I）化合物的有效量。
• THIAZOLYL-DIHYDRO-INDAZOLES
  申请人：BETZEMEIER Bodo

  公开号：US20100113414A1

  公开（公告）日：2010-05-06

  The present invention encompasses compounds of the general formula (1) in which R 1 to R 3 are defined as in claim 1 , which are suitable for treating diseases which are characterized by excessive or anomalous cell proliferation, and their use for producing a pharmaceutical having the abovementioned properties.

  本发明涵盖了通式（1）中定义如权利要求1中的R1至R3的化合物，适用于治疗以过度或异常细胞增殖为特征的疾病，并且它们的用途用于制备具有上述特性的药物。